2020
DOI: 10.1107/s2052520620003893
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Structure variations within RSi2 and R 2Si3 silicides. Part II. Structure driving factors

Abstract: To gain an overview of the various structure reports on RSi 2 and R 2 TSi 3 compounds (R is a member of the Sc group, an alkaline earth, lanthanide or actinide metal, T is a transition metal), compositions, lattice parameters a and c, ratios c/a, formula units per unit cell, and structure types are summarized in extensive tables and the variations of these properties when varying the R or T elements are analyzed. Following the structural systematization given in Part I, Part II focuses on revealing the driving… Show more

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Cited by 4 publications
(4 citation statements)
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“…Figure builds up the long-period stacking sequence of Gd 2 PdSi 3 , starting from the AlB 2 -type with random occupation on the honeycomb layer. This hypothetical Gd­(Pd 1/4 Si 3/4 ) 2 is unfavorable due to effective Coulomb repulsion between Pd–Pd. Instead, Pd–Si ordering emerges in the honeycomb plane, where Pd atoms occupy positions of maximal mutual distance [Figure (b)]. Given the geometry of the honeycomb lattice with six sites for Pd/Si, four types of layers, A, B, C, and D, are possible [Figure , Figure (e)].…”
Section: Resultsmentioning
confidence: 99%
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“…Figure builds up the long-period stacking sequence of Gd 2 PdSi 3 , starting from the AlB 2 -type with random occupation on the honeycomb layer. This hypothetical Gd­(Pd 1/4 Si 3/4 ) 2 is unfavorable due to effective Coulomb repulsion between Pd–Pd. Instead, Pd–Si ordering emerges in the honeycomb plane, where Pd atoms occupy positions of maximal mutual distance [Figure (b)]. Given the geometry of the honeycomb lattice with six sites for Pd/Si, four types of layers, A, B, C, and D, are possible [Figure , Figure (e)].…”
Section: Resultsmentioning
confidence: 99%
“…Alloying experiments are suitable to shed light on the hitherto elusive origin of the 8M stacking sequence in stoichiometric Gd 2 PdSi 3 , which is the longest-period polytype in AlB 2 -derived silicides. , All data are consistent with the notion that the fundamental building blocks of Gd 2 Pd­(Si 1– x Ge x ) 3 , at least up to x = 0.5, are the 1H layers A–D depicted in Figure (e). We compare several ordered stacking sequences, or polytypes built from 1H, based on energetic and entropic considerations.…”
Section: Discussionmentioning
confidence: 99%
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“…This distinction is likely due to the significant influence of the 4f electrons of rare-earth atoms on the stabilization of crystal structures, interatomic distances, and magnetic interactions. In rareearth silicides, this influence, in addition to the ordering of T/Si atoms, annealing, and stoichiometry, leads to the unique magnetic properties of each compound, without any shared trends [18].…”
Section: Introductionmentioning
confidence: 99%